5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

C35H28F6N4O2 — CID 147312122

About 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 147312122) has the molecular formula C35H28F6N4O2 and a molecular weight of 650.62 g/mol. Its IUPAC name is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
• PubChem CID: 147312122
• Molecular Formula: C35H28F6N4O2
• Molecular Weight: 650.62 g/mol
• Exact Mass: 650.21
• IUPAC Name: 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
• SMILES: CCc1c(-c2ccccc2)c(C(F)(F)F)nn1CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1
• InChI: InChI=1S/C35H28F6N4O2/c1-2-30-31(21-7-4-3-5-8-21)33(35(39,40)41)44-45(30)19-26(46)16-23(13-20-14-24(36)18-25(37)15-20)32-27(9-6-12-43-32)22-10-11-29(38)28(17-22)34(42)47/h3-12,14-15,17-18,23H,2,13,16,19H2,1H3,(H2,42,47)/t23-/m1/s1
• InChIKey: CYDWDHZSXOYBBX-HSZRJFAPSA-N
• XLogP: 7.70
• TPSA: 90.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.62
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?

The IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (CID 147312122) is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.

What is the SMILES notation for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?

The canonical SMILES for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is CCc1c(-c2ccccc2)c(C(F)(F)F)nn1CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1.

What is the InChIKey of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?

The InChIKey is CYDWDHZSXOYBBX-HSZRJFAPSA-N. The full InChI is InChI=1S/C35H28F6N4O2/c1-2-30-31(21-7-4-3-5-8-21)33(35(39,40)41)44-45(30)19-26(46)16-23(13-20-14-24(36)18-25(37)15-20)32-27(9-6-12-43-32)22-10-11-29(38)28(17-22)34(42)47/h3-12,14-15,17-18,23H,2,13,16,19H2,1H3,(H2,42,47)/t23-/m1/s1.

What are the key properties of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?

5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 650.62 g/mol, XLogP of 7.70, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 147312122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).